Information card for entry 2209566
Chemical name |
(1'S,2'S,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'- methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one |
Formula |
C20 H26 Br N O3 |
Calculated formula |
C20 H26 Br N O3 |
SMILES |
Br[C@@H](C)C(=O)N1C(=O)c2ccccc2O[C@]21[C@H](C(C)C)CC[C@@H](C)C2 |
Title of publication |
(1'<i>S</i>,2'<i>S</i>,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'-methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one |
Authors of publication |
Yuan, Qing; Lei, Ming |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
7 |
Pages of publication |
o3011 - o3012 |
a |
8.7388 ± 0.0003 Å |
b |
14.02 ± 0.0008 Å |
c |
15.9341 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1952.21 ± 0.16 Å3 |
Cell temperature |
295 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for significantly intense reflections |
0.0315 |
Weighted residual factors for all reflections included in the refinement |
0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2209566.html